Docking Molecular dari Kompleks Zn(II)Amina (Prolin)dithiokarbamat terhadap Reseptor Estrogen-α

  • Rizal Irfandi Universitas Puangrimaggalatung
  • Ruslang Ruslang Program Studi Keperawatan, Fakultas Keperawatan dan Kebidanan, Universitas Puangrimaggalatung, Indonesia. 90915
  • Indah Raya
  • Ahmad Yani
  • Muhammad Nasir
  • Nurcaya Nurcaya
  • Sulistiani Jarre


Estrogen-α (ER-α) is a major target in cancer therapy. Targeting the ER-α target protein is known to slow the proliferation of breast cancer cells. The purpose of this study was to determine the interaction of the complex compound Zn(II)Prolinedithiocarbamate against the Estrogen-α Receptor. The Zn(II)Prolinedithiocarbamate complex was predicted canonical SMILE by Cheminfo online application (O=C(O)C1CCCN1C2S[Zn]S2) and modeled with online corina to obtain a three-dimensional structure. The structure of the complex compound Zn(II)Prolinedithiocarbamate interacted with Estrogen receptor alpha protein to test its potential anticancer activity. Molecular docking results show the interaction of the Zn(II)Prolinedithiocarbamate complex with the Estrogen- receptor on the amino acid residues ARG394, LEU387, GLU353, LEU346, LEU349, and PHE404. The Zn(II)Prolinedithiocarbamate complex interacts directly with ER-α in the estrogen region which causes the failure of the interaction between estrogen and the estrogen receptor, so it can be predicted that the Zn complex has activity as an ER-α inhibitor and has the potential to be developed in the treatment of breast cancer.


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Adeyemi, J. O., & Onwudiwe, D. C. (2018). Organotin(IV) Dithiocarbamate Complexes: Chemistry and Biological Activity. Molecules 2018, Vol. 23, Page 2571, 23(10), 2571.

Adjiri, A. (2017). DNA Mutations May Not Be the Cause of Cancer. Oncology and Therapy 2017 5:1, 5(1), 85–101.

Arjmand, F., Parveen, S., & Mohapatra, D. K. (2012). Synthesis, characterization of Cu(II) and Zn(II) complexes of proline-glycine and proline-leucine tetrapeptides: In vitro DNA binding and cleavage studies. Inorganica Chimica Acta, 388, 1–10.

Bai, Z., Gust, R. (2009). Breast Cancer, Estrogen Receptor and Ligands. Arch. Pharm. Chem, 342, 133–149.

Ferreira, Isabella P., Geraldo M. de Lima., Eucler B., Paniago, Carlos B. Pinheiro., James L. Wardell ., and S. M. S. V. W. (2015). Study of metal dithiocarbamate complexes, Part V. Metal complexes of [S2CN(CH2CH(OMe)2]: a standard dimeric zinc dithiocarbamate structural motive, a rare cadmium dithiocarbamate coordination polymer, and a hydrated sodium dithiocarbarmate complex, with a. ICA, 11(011).

Guney, G. E. (2018). A novel Zn(II) complex loaded solid lipid nanoparticles for breast cancer treatment: Synthesis, characterization and cytotoxic studies. A Novel Zn(II) Complex Loaded Solid Lipid Nanoparticles for Breast Cancer Treatment: Synthesis, Characterization and Cytotoxic Studies.

H, T., Y, Z., & Z, P. (2009). Autocrine regulation of cell proliferation by estrogen receptor-alpha in estrogen receptor-alpha-positive breast cancer cell lines. BMC Cancer, 9, 31–31.

Hassan, E. A., & Zayed, S. E. (2014). Dithiocarbamates as Precursors in Organic Chemistry; Synthesis and Uses. Http://Dx.Doi.Org/10.1080/10426507.2013.797416, 189(3), 300–323.

Hua, H., Zhang, H., Kong, Q. et al. (2018). Mechanisms for estrogen receptor expression in human cancer. Exp Hematol Oncol, 7(24).

Irfandi, R., Prihantono, P., Raya, I., Kartina, D., & Riswandi, R. (2019). Synthesis, Characterization and Anticancer Studies of Fe(II)Cysteinedithiocarbamate Complex. Ii.

Moverare-Skrtic, S., Borjesson, A.E., Farman, H.H., Sjorgen, K., Windahl, S.H., Lagerquist, M.K., Andersson, A., Stubelius, A., Carlsten, H., Gustafsson, J., Ohlsson, C. (2013). The Estrogen Receptor Antagonist ICI 182.780 can Act Both as an Agonist and an Inverse Agonist when Estrogen Receptor α AF-2 is Modified. Proceedings of the National Academy of Sciences, 111(3), 1180–1185.

MR, S., PJ, C., & PA, F. (2009). The cancer genome. Nature, 458(7239), 719–724.

Prihantono, Irfandi, R., Raya, I., & Warsinggih. (2020). Potential anticancer activity of Mn (II) complexes containing arginine dithiocarbamate ligand on MCF-7 breast cancer cell lines. Annals of Medicine and Surgery, 60(October), 396–402.

Ritacco, I., Russo, N., & Sicilia, E. (2015). DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents. Inorganic Chemistry, 54(22), 10801–10810.

Rogachev, I., Gusis, V., Gusis, A., Cortina, J. L., Gressel, J., & Warshawsky, A. (1999). Spectrophotometric determination of copper complexation properties of new amphiphilic dithiocarbamates. Reactive and Functional Polymers, 42(3), 243–254.

Sastry, M., Lowrie, J.F., Dixon, S.L., Sherman, W. (2010). Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments. J. Chem. Inf. Model, 50(5), 771–784.

Shareef, M., Ashraf, M. A., & Sarfraz, M. (2016). Natural cures for breast cancer treatment. Saudi Pharmaceutical Journal, 24(3), 233–240.

Subin Kumar, K., Reena, V. N., & Aravindakshan, K. K. (2021). Synthesis, anticancer and larvicidal activities of a novel Schiff base ligand, 3-((2-((1-(4-hydroxyphenyl)ethylidene)amino)ethyl)imino)-N-(p-tolyl)butanamide and its Mn(II), Fe(III), Co(II), Ni(II) and Zn(II) complexes. Results in Chemistry, 3, 100166.

Yamamoto-Ibusuki, M., Arnedos, M., Andre, F. (2015). Targeted Therapies for ER+/HER2- Metastatic Breast Cancer. BMC Medicine, 13, 137.

How to Cite
Irfandi, R., Ruslang, R., Raya, I., Yani, A., Nasir, M., Nurcaya, N., & Jarre, S. (2021). Docking Molecular dari Kompleks Zn(II)Amina (Prolin)dithiokarbamat terhadap Reseptor Estrogen-α. Al-Kimia, 9(2), 182-187.
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